BDBM50116889 CHEMBL3613039

SMILES: CC(=O)Oc1c(C)c(C)c2OC(C)(CCc2c1C)C(=O)OCCCN=[N+]=[N-]

InChI Key: InChIKey=MVIBUBGYZVKHCP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116889   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50116889 (CHEMBL3613039) Show SMILES CC(=O)Oc1c(C)c(C)c2OC(C)(CCc2c1C)C(=O)OCCCN=[N+]=[N-] Show InChI InChI=1S/C19H25N3O5/c1-11-12(2)17-15(13(3)16(11)26-14(4)23)7-8-19(5,27-17)18(24)25-10-6-9-21-22-20/h6-10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...				Eur J Med Chem 101: 573-83 (2015) BindingDB Entry DOI: 10.7270/Q2V69MDP
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50116889 (CHEMBL3613039) Show SMILES CC(=O)Oc1c(C)c(C)c2OC(C)(CCc2c1C)C(=O)OCCCN=[N+]=[N-] Show InChI InChI=1S/C19H25N3O5/c1-11-12(2)17-15(13(3)16(11)26-14(4)23)7-8-19(5,27-17)18(24)25-10-6-9-21-22-20/h6-10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...				Eur J Med Chem 101: 573-83 (2015) BindingDB Entry DOI: 10.7270/Q2V69MDP
					More data for this Ligand-Target Pair